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PDB code 3MDY

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bone morphogenetic protein receptor type-1B (BMPR1B)

  (335/335 = 100%)
(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 0.940n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor-like kinase 3 (ALK-3)

  (285/335 = 85%)
(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 2.20n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human ALK3 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay


J Med Chem 60: 1495-1508 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01679
BindingDB Entry DOI: 10.7270/Q2TQ63S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ALK3

  (286/334 = 86%)
(Mus musculus)
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 14.3n/an/an/an/an/an/a



Massachusetts Institute of Technology





ACS Chem Biol 8: 1291-302 (2013)


Article DOI: 10.1021/cb300655w
BindingDB Entry DOI: 10.7270/Q2ZW1JKW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Activin receptor-like kinase 3 (ALK-3)

  (285/335 = 85%)
(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 19n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of ALK3 (unknown origin) using Ulight topo IIa (Thr 1342) peptide as substrate preincubated for 10 mins followed by substrate addition and...


Bioorg Med Chem Lett 28: 3356-3362 (2018)


BindingDB Entry DOI: 10.7270/Q2NZ8BBT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bone morphogenetic protein receptor type-1B (BMPR1B)

  (335/335 = 100%)
(Homo sapiens (Human))
BDBM50262079
PNG
(4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...)
Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
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n/an/a 60n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ALK6 (unknown origin)


Bioorg Med Chem Lett 23: 3248-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.113
BindingDB Entry DOI: 10.7270/Q2WW7K3P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output